UCSF

ZINC19720971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 21 No

Other Names:

MFCD00759187

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 4.21 -10.28 0 5 0 50 329.183 2
Ref Reference (pH 7) 1.50 4.23 -10.36 0 5 0 50 329.183 2
Lo Low (pH 4.5-6) 1.50 6.7 -49.9 1 5 1 51 330.191 2

Vendor Notes

Note Type Comments Provided By
melting_point 139 - 141 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )